Error training, pre-trained models

[cmahervir]

Dear Pocket2Mol team,

Thank you for your paper and for this code release! I am wondering firstly if you will be able to provide links to pre-trained models? Let us know if you need help hosting them.

Also, I ran the command for training the model and encountered the following error:

No such file or directory: './data/crossdocked_pocket10_name2id.pt'

Do you know where I can obtain this file? I don't see it in the files linked in data/Readme.md

Thanks for your help!

-Cyrus

[cmahervir]

I believe this came from a previous call producing crossdocked_pocket10_processed.lmdb but not crossdocked_pocket10_name2id.pt. Since crossdocked_pocket10_processed.lmdb is what is checked for to recompute, crossdocked_pocket10_name2id.pt is never produced. Deleting crossdocked_pocket10_processed.lmdb was sufficient to get it working